Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[24023812] |
||
NPO18650 | Carassius auratus | Species | Cyprinidae | Eukaryota | TCM_Taiwan* | |||
NPO18650 | Carassius auratus | Species | Cyprinidae | Eukaryota | HerDing* | |||
NPO30561 | Rana nigromaculata | Species | Ranidae | Eukaryota | TCM_Taiwan* | |||
NPO31339 | Rana nigromaculata, | Species | Ranidae | Eukaryota | HerDing* | |||
NPO18650 | Carassius auratus | Species | Cyprinidae | Eukaryota | TCMID* | |||
NPO5178 | Pelophylax nigromaculatus | Species | Ranidae | Eukaryota | TCMID* | |||
NPO913 | Pelophylax plancyi | Species | Ranidae | Eukaryota | TCMID* | |||
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | TM-MC* | |||
NPO25443 | Citrus reticulata | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO10082 | Citrus unshiu | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO7698 | Elettaria cardamomum | Species | Zingiberaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT4186 | Individual Protein | Dihydropteroate synthase | Bacillus anthracis | Inhibition | = | 37 | % | 19899766 |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 102.12 | % | 23571415 |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 99.97 | % | 23571415 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC144223 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
0.8417 | Intermediate Similarity | NPC63433 |
0.8279 | Intermediate Similarity | NPC240084 |
0.8034 | Intermediate Similarity | NPC317307 |
0.7258 | Intermediate Similarity | NPC180417 |
0.6746 | Remote Similarity | NPC59314 |
0.6667 | Remote Similarity | NPC180493 |
0.6591 | Remote Similarity | NPC41958 |
0.6519 | Remote Similarity | NPC278549 |
0.6508 | Remote Similarity | NPC293163 |
0.6429 | Remote Similarity | NPC15566 |
0.6418 | Remote Similarity | NPC313547 |
0.6385 | Remote Similarity | NPC119133 |
0.6357 | Remote Similarity | NPC109322 |
0.6319 | Remote Similarity | NPC243319 |
0.6316 | Remote Similarity | NPC47936 |
0.6304 | Remote Similarity | NPC327579 |
0.625 | Remote Similarity | NPC148385 |
0.622 | Remote Similarity | NPC320256 |
0.6207 | Remote Similarity | NPC246193 |
0.6187 | Remote Similarity | NPC252603 |
0.6176 | Remote Similarity | NPC199790 |
0.6107 | Remote Similarity | NPC10466 |
0.6058 | Remote Similarity | NPC327613 |
0.6054 | Remote Similarity | NPC470138 |
0.6053 | Remote Similarity | NPC185903 |
0.6045 | Remote Similarity | NPC75131 |
0.6 | Remote Similarity | NPC158847 |
0.5985 | Remote Similarity | NPC256849 |
0.596 | Remote Similarity | NPC237812 |
0.596 | Remote Similarity | NPC18223 |
0.5948 | Remote Similarity | NPC286696 |
0.5946 | Remote Similarity | NPC235501 |
0.5938 | Remote Similarity | NPC321052 |
0.5933 | Remote Similarity | NPC262926 |
0.5909 | Remote Similarity | NPC273327 |
0.5894 | Remote Similarity | NPC61198 |
0.5882 | Remote Similarity | NPC210947 |
0.587 | Remote Similarity | NPC303899 |
0.5828 | Remote Similarity | NPC126634 |
0.5816 | Remote Similarity | NPC68938 |
0.5814 | Remote Similarity | NPC9639 |
0.5796 | Remote Similarity | NPC89147 |
0.5796 | Remote Similarity | NPC274384 |
0.5772 | Remote Similarity | NPC287876 |
0.5759 | Remote Similarity | NPC327477 |
0.5744 | Remote Similarity | NPC147983 |
0.5744 | Remote Similarity | NPC177996 |
0.5705 | Remote Similarity | NPC186619 |
0.5705 | Remote Similarity | NPC14330 |
0.5695 | Remote Similarity | NPC324009 |
0.5658 | Remote Similarity | NPC319221 |
0.5633 | Remote Similarity | NPC211820 |
0.5633 | Remote Similarity | NPC251233 |
0.5633 | Remote Similarity | NPC318590 |
0.5629 | Remote Similarity | NPC25465 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC144223 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.7581 | Intermediate Similarity | NPD9082 | Approved |
0.7203 | Intermediate Similarity | NPD9101 | Discontinued |
0.6864 | Remote Similarity | NPD8835 | Approved |
0.6746 | Remote Similarity | NPD8837 | Clinical (unspecified phase) |
0.6716 | Remote Similarity | NPD9360 | Approved |
0.6667 | Remote Similarity | NPD78 | Approved |
0.6667 | Remote Similarity | NPD9544 | Approved |
0.6641 | Remote Similarity | NPD9375 | Discontinued |
0.6593 | Remote Similarity | NPD8824 | Phase 3 |
0.6575 | Remote Similarity | NPD1808 | Phase 1 |
0.6552 | Remote Similarity | NPD1121 | Approved |
0.6552 | Remote Similarity | NPD1120 | Approved |
0.6544 | Remote Similarity | NPD307 | Approved |
0.6496 | Remote Similarity | NPD9409 | Discontinued |
0.6493 | Remote Similarity | NPD9374 | Approved |
0.6471 | Remote Similarity | NPD7246 | Clinical (unspecified phase) |
0.6471 | Remote Similarity | NPD7245 | Approved |
0.6385 | Remote Similarity | NPD9291 | Approved |
0.635 | Remote Similarity | NPD578 | Discontinued |
0.6343 | Remote Similarity | NPD9373 | Approved |
0.6338 | Remote Similarity | NPD515 | Phase 1 |
0.6333 | Remote Similarity | NPD1431 | Approved |
0.6333 | Remote Similarity | NPD1430 | Approved |
0.6319 | Remote Similarity | NPD9081 | Clinical (unspecified phase) |
0.6312 | Remote Similarity | NPD579 | Clinical (unspecified phase) |
0.6304 | Remote Similarity | NPD9607 | Approved |
0.6276 | Remote Similarity | NPD282 | Approved |
0.6268 | Remote Similarity | NPD281 | Approved |
0.6232 | Remote Similarity | NPD237 | Clinical (unspecified phase) |
0.6232 | Remote Similarity | NPD9606 | Approved |
0.623 | Remote Similarity | NPD9103 | Approved |
0.623 | Remote Similarity | NPD9102 | Approved |
0.6187 | Remote Similarity | NPD9288 | Approved |
0.6187 | Remote Similarity | NPD76 | Approved |
0.6187 | Remote Similarity | NPD9292 | Approved |
0.6187 | Remote Similarity | NPD9289 | Approved |
0.6181 | Remote Similarity | NPD1128 | Approved |
0.6181 | Remote Similarity | NPD1127 | Approved |
0.6143 | Remote Similarity | NPD9290 | Approved |
0.6131 | Remote Similarity | NPD9086 | Approved |
0.6111 | Remote Similarity | NPD300 | Approved |
0.6076 | Remote Similarity | NPD7842 | Phase 2 |
0.6074 | Remote Similarity | NPD8954 | Approved |
0.6074 | Remote Similarity | NPD8955 | Approved |
0.6071 | Remote Similarity | NPD580 | Discontinued |
0.6061 | Remote Similarity | NPD9626 | Clinical (unspecified phase) |
0.6014 | Remote Similarity | NPD545 | Clinical (unspecified phase) |
0.6014 | Remote Similarity | NPD547 | Clinical (unspecified phase) |
0.6014 | Remote Similarity | NPD757 | Phase 3 |
0.5986 | Remote Similarity | NPD2221 | Clinical (unspecified phase) |
0.5985 | Remote Similarity | NPD9358 | Approved |
0.5985 | Remote Similarity | NPD9359 | Approved |
0.5974 | Remote Similarity | NPD1117 | Clinical (unspecified phase) |
0.5973 | Remote Similarity | NPD209 | Clinical (unspecified phase) |
0.596 | Remote Similarity | NPD9133 | Approved |
0.5933 | Remote Similarity | NPD194 | Clinical (unspecified phase) |
0.5924 | Remote Similarity | NPD7531 | Clinical (unspecified phase) |
0.5897 | Remote Similarity | NPD9627 | Approved |
0.5894 | Remote Similarity | NPD252 | Clinical (unspecified phase) |
0.5871 | Remote Similarity | NPD1451 | Approved |
0.5867 | Remote Similarity | NPD9083 | Clinical (unspecified phase) |
0.5855 | Remote Similarity | NPD9628 | Approved |
0.5833 | Remote Similarity | NPD4262 | Discontinued |
0.5828 | Remote Similarity | NPD1119 | Phase 2 |
0.5818 | Remote Similarity | NPD1335 | Approved |
0.5789 | Remote Similarity | NPD535 | Approved |
0.5782 | Remote Similarity | NPD1775 | Approved |
0.5782 | Remote Similarity | NPD9366 | Approved |
0.5782 | Remote Similarity | NPD1085 | Approved |
0.5772 | Remote Similarity | NPD8829 | Clinical (unspecified phase) |
0.5769 | Remote Similarity | NPD9183 | Clinical (unspecified phase) |
0.5744 | Remote Similarity | NPD3353 | Approved |
0.5742 | Remote Similarity | NPD1118 | Discontinued |
0.5704 | Remote Similarity | NPD1368 | Approved |
0.5697 | Remote Similarity | NPD2604 | Approved |
0.5641 | Remote Similarity | NPD549 | Approved |
0.5632 | Remote Similarity | NPD3108 | Clinical (unspecified phase) |
0.5605 | Remote Similarity | NPD2253 | Discontinued |
0.5602 | Remote Similarity | NPD3697 | Discontinued |
PubChem CID   | 70361 |
ChEMBL   | CHEMBL566727 |
ZINC   |
Molecular Weight:   | 207.04 |
ALogP:   | -0.9258 |
MLogP:   | 1.35 |
XLogP:   | -0.76 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 131.55 |
# H-Bond Aceptor:   | 8 |
# H-Bond Donor:   | 4 |
# Rings:   | 2 |
# Heavy Atoms:   | 15 |